anisole;phenylphosphane

C13H15OP — CID 142274985

IUPACanisole;phenylphosphane
SMILESCOc1ccccc1.Pc1ccccc1
InChIInChI=1S/C7H8O.C6H7P/c1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2-6H,1H3;1-5H,7H2
InChIKeyMADAXUXKCSIBFL-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.88
Rot. Bonds1

About anisole;phenylphosphane

anisole;phenylphosphane (PubChem CID 142274985) has the molecular formula C13H15OP and a molecular weight of 218.24 g/mol. Its IUPAC name is anisole;phenylphosphane.

Molecular Properties

Compound Nameanisole;phenylphosphane
PubChem CID142274985
Molecular FormulaC13H15OP
Molecular Weight218.24 g/mol
Exact Mass218.09
IUPAC Nameanisole;phenylphosphane
SMILESCOc1ccccc1.Pc1ccccc1
InChIInChI=1S/C7H8O.C6H7P/c1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2-6H,1H3;1-5H,7H2
InChIKeyMADAXUXKCSIBFL-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
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CID 86033716
phenylphosphane
CID 160937143
anisole;trifluoroborane
CID 174665057
anisole;argon;propane
CID 165043377
anisole;carbanide;ethane;methoxymethane;yttrium
CID 162198050
anisole;diiodozinc
CID 174569089
anisole;1,1'-biphenyl;naphthalene
CID 161250692
anisole;1,4-dichlorobenzene
CID 175517246
anisole;ethane;methane;2-methylpropane
CID 159356491

Frequently Asked Questions

What is the IUPAC name of anisole;phenylphosphane?
The IUPAC name of anisole;phenylphosphane (CID 142274985) is anisole;phenylphosphane.
What is the SMILES notation for anisole;phenylphosphane?
The canonical SMILES for anisole;phenylphosphane is COc1ccccc1.Pc1ccccc1.
What is the InChIKey of anisole;phenylphosphane?
The InChIKey is MADAXUXKCSIBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H7P/c1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2-6H,1H3;1-5H,7H2.
What are the key properties of anisole;phenylphosphane?
anisole;phenylphosphane has a molecular weight of 218.24 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;phenylphosphane is sourced from PubChem (CID 142274985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).